Input 10-bomd.02-td.inp
Commits >
Commit f8aeac8acec97cad57d0dc81a915c34dc5591a3a >
Run foss_mpi_omp_autotools: [foss2023a-mpi]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| Energy [step 1] | -1.058173966626711e+01 | -1.058173966727794e+01 | 1.110000000000000e-09 | 1.010828754033355e-09 | PASS |
| Energy [step 2] | -1.058158908201928e+01 | -1.058158908323670e+01 | 1.340000000000000e-09 | 1.217424383526122e-09 | PASS |
| Energy [step 3] | -1.058145773725865e+01 | -1.058145773976836e+01 | 2.760000000000000e-09 | 2.509709773335089e-09 | PASS |
| Energy [step 4] | -1.058134609279398e+01 | -1.058134609837600e+01 | 6.140000000000000e-09 | 5.582023732131347e-09 | PASS |
| Forces [step 1] | -1.538476408166966e-01 | -1.538477490161310e-01 | 1.190000000000000e-07 | 1.081994344120929e-07 | PASS |
| Forces [step 2] | -1.732218447022174e-01 | -1.732217491278353e-01 | 1.050000000000000e-07 | -9.557438207519198e-08 | PASS |
| Forces [step 3] | -1.918261821852350e-01 | -1.918264519676630e-01 | 2.970000000000000e-07 | 2.697824280362138e-07 | PASS |
| Forces [step 4] | -2.092289486418056e-01 | -2.092290828484236e-01 | 1.480000000000000e-07 | 1.342066179854662e-07 | PASS |